benzene;benzylbenzene;1,1'-biphenyl;3,3-difluoropentane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methanethiol;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;naphthalene;pentane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;2,4,5-triphenyl-1H-imidazole

C287H377F8N8O2S+ — CID 159321143

IUPACbenzene;benzylbenzene;1,1'-biphenyl;3,3-difluoropentane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methanethiol;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;naphthalene;pentane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;2,4,5-triphenyl-1H-imidazole
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(c1ccccc1)c1ccccc1.CC(c1ccccc1)(c1ccccc1)c1ccccc1.CCC(C)(c1ccccc1)c1ccccc1.CCC(F)(F)CC.CCCCC.CS.Cc1[nH]c(-c2ccc(-c3[nH]c(C)c(-c4ccccc4)[nH+]3)cc2)nc1-c1ccccc1.Cc1nc2cc(-c3ccc4oc(C)nc4c3)ccc2o1.FC(F)(F)C(c1ccccc1)(c1ccccc1)C(F)(F)F.c1ccc(-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C26H22N4.C25H18.C21H16N2.C20H18.C16H12N2O2.C16H18.C15H10F6.C15H16.C13H12.C12H10.C10H8.6C6H6.C5H10F2.C5H12.25C2H6.CH4S.CH4/c1-17-23(19-9-5-3-6-10-19)29-25(27-17)21-13-15-22(16-14-21)26-28-18(2)24(30-26)20-11-7-4-8-12-20;1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-9-17-13-7-11(3-5-15(13)19-9)12-4-6-16-14(8-12)18-10(2)20-16;1-3-16(2,14-10-6-4-7-11-14)15-12-8-5-9-13-15;16-14(17,18)13(15(19,20)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;6*1-2-4-6-5-3-1;1-3-5(6,7)4-2;1-3-5-4-2;26*1-2;/h3-16H,1-2H3,(H,27,29)(H,28,30);1-18H;1-15H,(H,22,23);2-16H,1H3;3-8H,1-2H3;4-13H,3H2,1-2H3;1-10H;3-12H,1-2H3;1-10H,11H2;1-10H;1-8H;6*1-6H;3-4H2,1-2H3;3-5H2,1-2H3;25*1-2H3;2H,1H3;1H4/p+1
InChIKeyFDRZSAJBOYBBDK-UHFFFAOYSA-O
MW4155.28 g/mol
LogP91.17
Rot. Bonds27

About benzene;benzylbenzene;1,1'-biphenyl;3,3-difluoropentane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methanethiol;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;naphthalene;pentane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;2,4,5-triphenyl-1H-imidazole

benzene;benzylbenzene;1,1'-biphenyl;3,3-difluoropentane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methanethiol;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;naphthalene;pentane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;2,4,5-triphenyl-1H-imidazole (PubChem CID 159321143) has the molecular formula C287H377F8N8O2S+ and a molecular weight of 4155.28 g/mol. Its IUPAC name is benzene;benzylbenzene;1,1'-biphenyl;3,3-difluoropentane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methanethiol;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;naphthalene;pentane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;2,4,5-triphenyl-1H-imidazole.

Molecular Properties

Compound Namebenzene;benzylbenzene;1,1'-biphenyl;3,3-difluoropentane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methanethiol;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;naphthalene;pentane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;2,4,5-triphenyl-1H-imidazole
PubChem CID159321143
Molecular FormulaC287H377F8N8O2S+
Molecular Weight4155.28 g/mol
Exact Mass4151.92
IUPAC Namebenzene;benzylbenzene;1,1'-biphenyl;3,3-difluoropentane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methanethiol;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;naphthalene;pentane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;2,4,5-triphenyl-1H-imidazole
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(c1ccccc1)c1ccccc1.CC(c1ccccc1)(c1ccccc1)c1ccccc1.CCC(C)(c1ccccc1)c1ccccc1.CCC(F)(F)CC.CCCCC.CS.Cc1[nH]c(-c2ccc(-c3[nH]c(C)c(-c4ccccc4)[nH+]3)cc2)nc1-c1ccccc1.Cc1nc2cc(-c3ccc4oc(C)nc4c3)ccc2o1.FC(F)(F)C(c1ccccc1)(c1ccccc1)C(F)(F)F.c1ccc(-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C26H22N4.C25H18.C21H16N2.C20H18.C16H12N2O2.C16H18.C15H10F6.C15H16.C13H12.C12H10.C10H8.6C6H6.C5H10F2.C5H12.25C2H6.CH4S.CH4/c1-17-23(19-9-5-3-6-10-19)29-25(27-17)21-13-15-22(16-14-21)26-28-18(2)24(30-26)20-11-7-4-8-12-20;1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-9-17-13-7-11(3-5-15(13)19-9)12-4-6-16-14(8-12)18-10(2)20-16;1-3-16(2,14-10-6-4-7-11-14)15-12-8-5-9-13-15;16-14(17,18)13(15(19,20)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;6*1-2-4-6-5-3-1;1-3-5(6,7)4-2;1-3-5-4-2;26*1-2;/h3-16H,1-2H3,(H,27,29)(H,28,30);1-18H;1-15H,(H,22,23);2-16H,1H3;3-8H,1-2H3;4-13H,3H2,1-2H3;1-10H;3-12H,1-2H3;1-10H,11H2;1-10H;1-8H;6*1-6H;3-4H2,1-2H3;3-5H2,1-2H3;25*1-2H3;2H,1H3;1H4/p+1
InChIKeyFDRZSAJBOYBBDK-UHFFFAOYSA-O
XLogP91.17
TPSA139.35 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds27
Heavy Atoms306
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004155.28
LogP ≤ 591.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze benzene;benzylbenzene;1,1'-biphenyl;3,3-difluoropentane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methanethiol;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;naphthalene;pentane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;2,4,5-triphenyl-1H-imidazole with MolForge

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Related Compounds

benzene;1,1'-biphenyl;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methoxymethane;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazol-3-ium;methylsulfanylmethane;methylsulfonylmethane;naphthalene;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;pentakis(propan-2-one);2,4,5-triphenyl-1H-imidazole
CID 158047803
CID 158785452
CID 158785452
benzene;1,1'-biphenyl;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methoxymethane;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;methylsulfanylmethane;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;pentakis(propan-2-one);2,4,5-triphenyl-1H-imidazole
CID 158974666
CID 159821325
CID 159821325
benzene;1,1'-biphenyl;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methoxymethane;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;tetrakis(propan-2-one);toluene;2,4,5-triphenyl-1H-imidazole
CID 159825792
1-benzyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;5-fluoro-1-phenyl-3-(1,1,3,3-tetrafluorobutyl)-4-(trifluoromethyl)pyrazole;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-benzoxazol-3-ium;3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]-1H-benzimidazol-3-ium
CID 160020465
benzene;1,1'-biphenyl;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methoxymethane;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;methylsulfanylmethane;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;pentakis(propan-2-one);2,4,5-triphenyl-1H-imidazole
CID 160338370
benzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methoxymethane;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;tetrakis(propan-2-one);toluene;2,4,5-triphenyl-1H-imidazole
CID 160486397
benzene;1,1'-biphenyl;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methoxymethane;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;methylsulfanylmethane;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;pentakis(propan-2-one);2,4,5-triphenyl-1H-imidazole
CID 160629574
benzene;benzylbenzene;1,1'-biphenyl;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;methylsulfanylmethane;naphthalene;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;2,4,5-triphenyl-1H-imidazole
CID 160917555
1-benzyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;methane;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-benzoxazol-3-ium;3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]-1H-benzimidazol-3-ium;3,4,4-trimethyl-2-(2-methylphenyl)-5H-1,3-oxazol-3-ium
CID 161111991
1-benzyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-benzoxazol-3-ium;3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]-1H-benzimidazol-3-ium;3,4,4-trimethyl-2-(2-methylphenyl)-5H-1,3-oxazol-3-ium
CID 161496892

Frequently Asked Questions

What is the IUPAC name of benzene;benzylbenzene;1,1'-biphenyl;3,3-difluoropentane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methanethiol;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;naphthalene;pentane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;2,4,5-triphenyl-1H-imidazole?
The IUPAC name of benzene;benzylbenzene;1,1'-biphenyl;3,3-difluoropentane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methanethiol;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;naphthalene;pentane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;2,4,5-triphenyl-1H-imidazole (CID 159321143) is benzene;benzylbenzene;1,1'-biphenyl;3,3-difluoropentane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methanethiol;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;naphthalene;pentane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;2,4,5-triphenyl-1H-imidazole.
What is the SMILES notation for benzene;benzylbenzene;1,1'-biphenyl;3,3-difluoropentane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methanethiol;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;naphthalene;pentane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;2,4,5-triphenyl-1H-imidazole?
The canonical SMILES for benzene;benzylbenzene;1,1'-biphenyl;3,3-difluoropentane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methanethiol;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;naphthalene;pentane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;2,4,5-triphenyl-1H-imidazole is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(c1ccccc1)c1ccccc1.CC(c1ccccc1)(c1ccccc1)c1ccccc1.CCC(C)(c1ccccc1)c1ccccc1.CCC(F)(F)CC.CCCCC.CS.Cc1[nH]c(-c2ccc(-c3[nH]c(C)c(-c4ccccc4)[nH+]3)cc2)nc1-c1ccccc1.Cc1nc2cc(-c3ccc4oc(C)nc4c3)ccc2o1.FC(F)(F)C(c1ccccc1)(c1ccccc1)C(F)(F)F.c1ccc(-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;benzylbenzene;1,1'-biphenyl;3,3-difluoropentane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methanethiol;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;naphthalene;pentane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;2,4,5-triphenyl-1H-imidazole?
The InChIKey is FDRZSAJBOYBBDK-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H22N4.C25H18.C21H16N2.C20H18.C16H12N2O2.C16H18.C15H10F6.C15H16.C13H12.C12H10.C10H8.6C6H6.C5H10F2.C5H12.25C2H6.CH4S.CH4/c1-17-23(19-9-5-3-6-10-19)29-25(27-17)21-13-15-22(16-14-21)26-28-18(2)24(30-26)20-11-7-4-8-12-20;1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-9-17-13-7-11(3-5-15(13)19-9)12-4-6-16-14(8-12)18-10(2)20-16;1-3-16(2,14-10-6-4-7-11-14)15-12-8-5-9-13-15;16-14(17,18)13(15(19,20)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;6*1-2-4-6-5-3-1;1-3-5(6,7)4-2;1-3-5-4-2;26*1-2;/h3-16H,1-2H3,(H,27,29)(H,28,30);1-18H;1-15H,(H,22,23);2-16H,1H3;3-8H,1-2H3;4-13H,3H2,1-2H3;1-10H;3-12H,1-2H3;1-10H,11H2;1-10H;1-8H;6*1-6H;3-4H2,1-2H3;3-5H2,1-2H3;25*1-2H3;2H,1H3;1H4/p+1.
What are the key properties of benzene;benzylbenzene;1,1'-biphenyl;3,3-difluoropentane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methanethiol;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;naphthalene;pentane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;2,4,5-triphenyl-1H-imidazole?
benzene;benzylbenzene;1,1'-biphenyl;3,3-difluoropentane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methanethiol;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;naphthalene;pentane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;2,4,5-triphenyl-1H-imidazole has a molecular weight of 4155.28 g/mol, XLogP of 91.17, 27 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;benzylbenzene;1,1'-biphenyl;3,3-difluoropentane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methanethiol;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;naphthalene;pentane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;2,4,5-triphenyl-1H-imidazole is sourced from PubChem (CID 159321143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).